=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 22 rings
        ring        int.           center             anis.    iso.
       HIS  1     0.900    -2.751  27.513  67.196  -99.200  -91.000
       PHE  2     1.000    -0.531  27.800  70.775  -99.200  -91.000
       TYR  9     0.840     9.091  32.557  77.402  -99.200  -91.000
       TYR 16     0.840    20.594  18.086  80.963  -99.200  -91.000
       HIS 22     0.900    26.577  16.911  75.165  -99.200  -91.000
       PHE 23     1.000    24.169  21.936  81.608  -99.200  -91.000
       HIS 42     0.900    31.243  31.871  75.916  -99.200  -91.000
       PHE 45     1.000    21.934  29.733  75.244  -99.200  -91.000
       TYR 56     0.840    12.904  37.180  68.450  -99.200  -91.000
       TYR 65     0.840    18.710  38.010  69.725  -99.200  -91.000
       TYR 75     0.840    22.869  31.787  61.538  -99.200  -91.000
       PHE 86     1.000    15.094  28.169  66.628  -99.200  -91.000
       HIS 94     0.900     9.881  15.699  81.860  -99.200  -91.000
       TYR 95     0.840    12.081  15.114  78.021  -99.200  -91.000
       TYR 98     0.840    13.100  25.555  72.762  -99.200  -91.000
       HIS 103     0.900    13.761  27.146  56.784  -99.200  -91.000
       TRP 108     1.040    14.476  21.313  58.230  -99.200  -91.000
      TRP6 108     1.020    15.503  22.970  56.889  -99.200  -91.000
       PHE 109     1.000    11.380  18.715  65.806  -99.200  -91.000
       HIS 125     0.900    13.769  11.225  63.184  -99.200  -91.000
       TYR 126     0.840     7.090  16.411  66.208  -99.200  -91.000
       PHE 133     1.000    17.703  21.099  73.382  -99.200  -91.000